SARS-CoV-2 Mpro protease with the top three scoring hits from our docking study. The three compounds were selected from the Enamine REAL library of approximately 1.4 billion synthesizable compounds. The top 10,000 hits from this docking study are freely available for download.
Summary: In an effort to quickly find potential therapeutics for COVID-19, OpenEye has completed multiple large-scale computational studies. Here we publish the first such set of results and make them freely available to advance research toward a therapy.
[News, large scale virtual screening, COVID-19, Giga docking]